SCHEMBL8986300

SCHEMBL8986300

Cc1ccc(C(=O)c2ccc(C(c3ccccc3)c3ccc[nH]3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SRD5A2 P31213 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A9 P48067 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14282584 0.91 AKR1C3 (0.44) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986306 0.86 AKR1C3 (0.40) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL13328292 0.84 ALDH1A1 (0.47) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL13638717 0.84 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL11922326 0.84 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986301 0.84 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL13592741 0.83 LMNA (0.34) AKR1C3LMNAALDH1A1SRD5A2NPC1
SCHEMBL10108773 0.81 NPC1 (0.31) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13593066 0.80 NPC1 (0.39) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986302 0.79 MEN1 (0.36) AKR1C3LMNAALDH1A1SRD5A2CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304561-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-11-06 US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 US disclosed
US-8188298-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-8188298-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-15 US disclosed
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-15 US disclosed
US-7994312-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-08-09 US disclosed
US-7994312-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-08-09 US disclosed
US-7595407-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2009-09-29 US disclosed
US-20080027232-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-31 US disclosed
US-20080027232-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-31 US disclosed
US-7323561-B2 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-29 US disclosed
US-7323561-B2 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-29 US disclosed
US-7317108-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-08 US disclosed
US-7317108-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-08 US disclosed
US-7282582-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2007-10-16 US disclosed
US-7282582-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2007-10-16 US disclosed
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES DECR2, ANTXR2, CD79B AKR1C3 341/4885LMNA 4136/4885ALDH1A1 2207/4885
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 AKR1C3 1386/4885LMNA 4635/4885ALDH1A1 1829/4885
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 AKR1C3 1386/4885LMNA 4635/4885ALDH1A1 1829/4885
US-20080027232-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES DECR2, ANTXR2, CD79B AKR1C3 341/4885LMNA 4136/4885ALDH1A1 2207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.