SCHEMBL1962745

SCHEMBL1962745

CCC(=C(c1ccccc1)c1ccc(OC(C)N(C)C)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.59
ESR2 Q92731 6/20 0.59
MAPT P10636 3/20 0.59
CYP3A4 P08684 3/20 0.59
MEN1 O00255 2/20 0.59
TP53 P04637 2/20 0.59
PGR P06401 2/20 0.59
ESRRG P62508 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
NR1I2 O75469 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
GBA1 P04062 1/20 0.59
NR3C1 P04150 1/20 0.59
ERBB2 P04626 1/20 0.59
PRKCG P05129 1/20 0.59
CYP1A2 P05177 1/20 0.59
PRKCB P05771 1/20 0.59

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
SCHEMBL227233 1.00 ESR1 (0.59) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL3773026 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10506418 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10506428 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL30289809 0.87 ESR1 (0.52) ESR1ESR2MAPTCYP3A4MEN1
Citric Acid SCHEMBL10954226 0.86 ESR1 (0.68) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL30677997 0.86 ESR1 (0.61) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10828019 0.84 ESR1 (0.54) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL7547707 0.84 ESR1 (0.60) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL7547715 0.84 ESR1 (0.60) ESR1ESR2MAPTCYP3A4MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945456-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1999-08-31 US claimed
US-5847007-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-12-08 US claimed
US-5773479-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-06-30 US claimed
US-20190016812-A1 NOVEL ANTI-TNFSF9 ANTIBODIES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2019-01-17 US disclosed
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-08-24 US disclosed
US-9376440-B2 Pyrrolobenzodiazepines as antiproliferative agents MEDIMMUNE LIMITED (GB) 2016-06-28 US disclosed
US-20150133435-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-14 US disclosed
EP-2205242-B1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH INC (US) 2015-04-15 EP disclosed
WO-2011072244-A1 METHOD OF TREATMENT OF BREAST CANCER WITH TAMOXIFEN MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2011-06-16 WO disclosed
US-5945456-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1999-08-31 US disclosed
US-5847007-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-12-08 US disclosed
US-5811447-A Therapeutic inhibitor of vascular smooth muscle cells NEORX CORPORATION (US) 1998-09-22 US disclosed
US-5773479-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-06-30 US disclosed
US-5770609-A ADMINISTERING TAMOXIFEN DERIVATIVES TO INHIBIT SMOOTH MUSCLE CELL PROLIFERATION ASSOCIATED WITH VASCULAR TRAUMA FROM SURGERY OR TRANSPLANTATION OF ORGANS OR MEDICAL DEVICES NEORX CORPORATION (US) 1998-06-23 US disclosed
US-5733925-A ADMINISTERING TAXOL TREATING CARDIOVASCULAR DISORDER NEORX CORPORATION (US) 1998-03-31 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 (3 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-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, BOD1L1, GABRA1 ESR1 4258/4885ESR2 4165/4885MAPT 3731/4885
US-20150133435-A1 PYRROLOBENZODIAZEPINES MBD2, DDB1, PDCD1 ESR1 3561/4885ESR2 2695/4885MAPT 61/4885
US-20190016812-A1 NOVEL ANTI-TNFSF9 ANTIBODIES AND METHODS OF USE TNFRSF9, TNFRSF1A, TNFSF11 ESR1 3828/4885ESR2 3243/4885MAPT 2973/4885

“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.