SCHEMBL19798871

SCHEMBL19798871

CC(C)(C)c1ccc2c(O)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HSD17B1 P14061 11/20 0.50
HSD17B2 P37059 11/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.48
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2054647 0.85 CTDSP1 (0.53) PLAUHDAC4HDAC2HDAC8HSD17B2
SCHEMBL10224681 0.82 PLAU (0.47) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL8222699 0.81 HSD17B1 (0.58) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL720292 0.78 PTPN1 (0.57) HDAC4HDAC2HDAC8HSD17B2ALDH1A1
SCHEMBL27241188 0.78 NR1I2 (0.39) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL7629173 0.77 ALDH1A1 (0.55) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL19196663 0.77 ALDH1A1 (0.55) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23479296 0.77 CYP1A2 (0.48) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL23479608 0.77 ALDH1A1 (0.48) PLAUHDAC4HDAC2HDAC8ALDH1A1
SCHEMBL23479028 0.77 KIF11 (0.41) HDAC4HDAC2HDAC8HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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 (5 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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B PLAU 4280/4885HDAC4 71/4885HDAC2 69/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS PLAU 4363/4885HDAC4 1845/4885HDAC2 2617/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B PLAU 4280/4885HDAC4 71/4885HDAC2 69/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PLAU 303/4885HDAC4 2987/4885HDAC2 1773/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PLAU 303/4885HDAC4 2987/4885HDAC2 1773/4885

“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.